# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2024--Ito-K-Yokoi-T-Hyodo-K-Mori-H--Fe-20 # implementation = 2024--Ito-K--Fe-20--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r Fe Fe 0.02 -3.252397522e+08 0.04 -2.644672589e+08 0.06 -2.147023786e+08 0.08 -1.740135329e+08 0.10 -1.407972926e+08 0.12 -1.137244471e+08 0.14 -9.169464096e+07 0.16 -7.379826291e+07 0.18 -5.928446856e+07 0.20 -4.753438300e+07 0.22 -3.803867357e+07 0.24 -3.037880482e+07 0.26 -2.421139206e+07 0.28 -1.925515925e+07 0.30 -1.528008281e+07 0.32 -1.209836790e+07 0.34 -9.556958688e+06 0.36 -7.531331057e+06 0.38 -5.920355957e+06 0.40 -4.642055260e+06 0.42 -3.630100590e+06 0.44 -2.830929721e+06 0.46 -2.201375514e+06 0.48 -1.706719581e+06 0.50 -1.319097355e+06 0.52 -1.016193429e+06 0.54 -7.801762612e+05 0.56 -5.968299512e+05 0.58 -4.548479739e+05 0.60 -3.452597825e+05 0.62 -2.609662182e+05 0.64 -1.963638565e+05 0.66 -1.470419087e+05 0.68 -1.095382005e+05 0.70 -8.114315355e+04 0.72 -5.974269441e+04 0.74 -4.369266116e+04 0.76 -3.171864143e+04 0.78 -2.283629714e+04 0.80 -1.628815427e+04 0.82 -1.149359349e+04 0.84 -8.009398208e+03 0.86 -5.498724307e+03 0.88 -3.706769765e+03 0.90 -2.441759699e+03 0.92 -1.560136241e+03 0.94 -9.550647246e+02 0.96 -5.475472020e+02 0.98 -2.795791807e+02 1.00 -1.089020082e+02 1.02 -4.996888579e+00 1.04 5.395861055e+01 1.06 8.339094010e+01 1.08 9.405965372e+01 1.10 9.334926855e+01 1.12 8.622812764e+01 1.14 7.595495811e+01 1.16 6.459533373e+01 1.18 5.339578152e+01 1.20 4.305199019e+01 1.22 3.389881720e+01 1.24 2.604301683e+01 1.26 1.945439796e+01 1.28 1.402712614e+01 1.30 9.619842238e+00 1.32 6.080964544e+00 1.34 3.263805494e+00 1.36 1.034836357e+00 1.38 -7.225305194e-01 1.40 -2.106981543e+00 1.42 -3.200020800e+00 1.44 -4.067598366e+00 1.46 -4.762144346e+00 1.48 -5.324691780e+00 1.50 -5.786900463e+00 1.52 -6.172880671e+00 1.54 -6.500772717e+00 1.56 -6.784074166e+00 1.58 -7.032727731e+00 1.60 -7.253994283e+00 1.62 -7.453140239e+00 1.64 -7.633969401e+00 1.66 -7.799227662e+00 1.68 -7.950906032e+00 1.70 -8.090463940e+00 1.72 -8.218991195e+00 1.74 -8.337323587e+00 1.76 -8.446124074e+00 1.78 -8.545938897e+00 1.80 -8.637235764e+00 1.82 -8.720429459e+00 1.84 -8.795898813e+00 1.86 -8.863997861e+00 1.88 -8.925063157e+00 1.90 -8.979418612e+00 1.92 -9.027378728e+00 1.94 -9.069250810e+00 1.96 -9.105336491e+00 1.98 -9.135932779e+00 2.00 -9.161332739e+00 2.02 -9.181825862e+00 2.04 -9.197698161e+00 2.06 -9.209232020e+00 2.08 -9.216705820e+00 2.10 -9.220393370e+00 2.12 -9.220563186e+00 2.14 -9.217477645e+00 2.16 -9.211392079e+00 2.18 -9.202553830e+00 2.20 -9.191201338e+00 2.22 -9.177563270e+00 2.24 -9.161857759e+00 2.26 -9.144291753e+00 2.28 -9.125060512e+00 2.30 -9.104347268e+00 2.32 -9.082323037e+00 2.34 -9.059146611e+00 2.36 -9.034964690e+00 2.38 -9.009912178e+00 2.40 -8.984112593e+00 2.42 -8.957678600e+00 2.44 -8.930712627e+00 2.46 -8.903307553e+00 2.48 -8.875547440e+00 2.50 -8.847508290e+00 2.52 -8.819258805e+00 2.54 -8.790861138e+00 2.56 -8.762371613e+00 2.58 -8.733841395e+00 2.60 -8.705317126e+00 2.62 -8.676841480e+00 2.64 -8.648453672e+00 2.66 -8.620189886e+00 2.68 -8.592083649e+00 2.70 -8.564166130e+00 2.72 -8.536466384e+00 2.74 -8.509011542e+00 2.76 -8.481826949e+00 2.78 -8.454936257e+00 2.80 -8.428361489e+00 2.82 -8.402123073e+00 2.84 -8.376239852e+00 2.86 -8.350729086e+00 2.88 -8.325606440e+00 2.90 -8.300885974e+00 2.92 -8.276580137e+00 2.94 -8.252699762e+00 2.96 -8.229254075e+00 2.98 -8.206250714e+00 3.00 -8.183695761e+00 3.02 -8.161593787e+00 3.04 -8.139947915e+00 3.06 -8.118759887e+00 3.08 -8.098030151e+00 3.10 -8.077757952e+00 3.12 -8.057941439e+00 3.14 -8.038577764e+00 3.16 -8.019663205e+00 3.18 -8.001193267e+00 3.20 -7.983162804e+00 3.22 -7.965566126e+00 3.24 -7.948397102e+00 3.26 -7.931649264e+00 3.28 -7.915315898e+00 3.30 -7.899390126e+00 3.32 -7.883864983e+00 3.34 -7.868733480e+00 3.36 -7.853988662e+00 3.38 -7.839623647e+00 3.40 -7.825631664e+00 3.42 -7.812006080e+00 3.44 -7.798740413e+00 3.46 -7.785828341e+00 3.48 -7.773263704e+00 3.50 -7.761040497e+00 3.52 -7.749152862e+00 3.54 -7.737595069e+00 3.56 -7.726361502e+00 3.58 -7.715446635e+00 3.60 -7.704845011e+00 3.62 -7.694551218e+00 3.64 -7.684559870e+00 3.66 -7.674865584e+00 3.68 -7.665462956e+00 3.70 -7.656346549e+00 3.72 -7.647510876e+00 3.74 -7.638950384e+00 3.76 -7.630659446e+00 3.78 -7.622632356e+00 3.80 -7.614863323e+00 3.82 -7.607346470e+00 3.84 -7.600075838e+00 3.86 -7.593045386e+00 3.88 -7.586249006e+00 3.90 -7.579680525e+00 3.92 -7.573333720e+00 3.94 -7.567202331e+00 3.96 -7.561280074e+00 3.98 -7.555560659e+00 4.00 -7.550037802e+00 4.02 -7.544705247e+00 4.04 -7.539556776e+00 4.06 -7.534586233e+00 4.08 -7.529787535e+00 4.10 -7.525154689e+00 4.12 -7.520681810e+00 4.14 -7.516363129e+00 4.16 -7.512193012e+00 4.18 -7.508165969e+00 4.20 -7.504276663e+00 4.22 -7.500519922e+00 4.24 -7.496890747e+00 4.26 -7.493384317e+00 4.28 -7.489995991e+00 4.30 -7.486721321e+00 4.32 -7.483556043e+00 4.34 -7.480496087e+00 4.36 -7.477537571e+00 4.38 -7.474676806e+00 4.40 -7.471910285e+00 4.42 -7.469234687e+00 4.44 -7.466646870e+00 4.46 -7.464143866e+00 4.48 -7.461722874e+00 4.50 -7.459381254e+00 4.52 -7.457116521e+00 4.54 -7.454926338e+00 4.56 -7.452808502e+00 4.58 -7.450760945e+00 4.60 -7.448781717e+00 4.62 -7.446868982e+00 4.64 -7.445021006e+00 4.66 -7.443236153e+00 4.68 -7.441512868e+00 4.70 -7.439849677e+00 4.72 -7.438245172e+00 4.74 -7.436698004e+00 4.76 -7.435206877e+00 4.78 -7.433770537e+00 4.80 -7.432387765e+00 4.82 -7.431057372e+00 4.84 -7.429778187e+00 4.86 -7.428549055e+00 4.88 -7.427368829e+00 4.90 -7.426236363e+00 4.92 -7.425150507e+00 4.94 -7.424110105e+00 4.96 -7.423113986e+00 4.98 -7.422160962e+00 5.00 -7.421249825e+00 5.02 -7.420379343e+00 5.04 -7.419548259e+00 5.06 -7.418755286e+00 5.08 -7.417999109e+00 5.10 -7.417278380e+00 5.12 -7.416591722e+00 5.14 -7.415937726e+00 5.16 -7.415314954e+00 5.18 -7.414721939e+00 5.20 -7.414157186e+00 5.22 -7.413619176e+00 5.24 -7.413106370e+00 5.26 -7.412617211e+00 5.28 -7.412150128e+00 5.30 -7.411703544e+00 5.32 -7.411275878e+00 5.34 -7.410865553e+00 5.36 -7.410471003e+00 5.38 -7.410090679e+00 5.40 -7.409723059e+00 5.42 -7.409366653e+00 5.44 -7.409020015e+00 5.46 -7.408681750e+00 5.48 -7.408350524e+00 5.50 -7.408025075e+00 5.52 -7.407704220e+00 5.54 -7.407386868e+00 5.56 -7.407072027e+00 5.58 -7.406758817e+00 5.60 -7.406446478e+00 5.62 -7.406134379e+00 5.64 -7.405822027e+00 5.66 -7.405509076e+00 5.68 -7.405195336e+00 5.70 -7.404880777e+00 5.72 -7.404565535e+00 5.74 -7.404249920e+00 5.76 -7.403934416e+00 5.78 -7.403619687e+00 5.80 -7.403306571e+00 5.82 -7.402996085e+00 5.84 -7.402689419e+00 5.86 -7.402387930e+00 5.88 -7.402093137e+00 5.90 -7.401806707e+00 5.92 -7.401530446e+00 5.94 -7.401266283e+00 5.96 -7.401016247e+00 5.98 -7.400782453e+00 6.00 -7.400567069e+00 6.02 -7.400372294e+00 6.04 -7.400200320e+00 6.06 -7.400053299e+00 6.08 -7.399933300e+00 6.10 -7.399842266e+00 6.12 -7.399781961e+00 6.14 -7.399753915e+00 6.16 -7.399759365e+00 6.18 -7.399799188e+00 6.20 -7.399873826e+00 6.22 -7.399983209e+00 6.24 -7.400126669e+00 6.26 -7.400302845e+00 6.28 -7.400509586e+00 6.30 -7.400743839e+00 6.32 -7.401001533e+00 6.34 -7.401277456e+00 6.36 -7.401565118e+00 6.38 -7.401856610e+00 6.40 -7.402142450e+00 6.42 -7.402411424e+00 6.44 -7.402650416e+00 6.46 -7.402844227e+00 6.48 -7.402975390e+00 6.50 -7.403023976e+00 6.52 -7.403023976e+00 6.54 -7.403023976e+00 6.56 -7.403023976e+00 6.58 -7.403023976e+00 6.60 -7.403023976e+00 6.62 -7.403023976e+00 6.64 -7.403023976e+00 6.66 -7.403023976e+00 6.68 -7.403023976e+00 6.70 -7.403023976e+00 6.72 -7.403023976e+00 6.74 -7.403023976e+00 6.76 -7.403023976e+00 6.78 -7.403023976e+00 6.80 -7.403023976e+00 6.82 -7.403023976e+00 6.84 -7.403023976e+00 6.86 -7.403023976e+00 6.88 -7.403023976e+00 6.90 -7.403023976e+00 6.92 -7.403023976e+00 6.94 -7.403023976e+00 6.96 -7.403023976e+00 6.98 -7.403023976e+00 7.00 -7.403023976e+00 7.02 -7.403023976e+00 7.04 -7.403023976e+00 7.06 -7.403023976e+00 7.08 -7.403023976e+00 7.10 -7.403023976e+00 7.12 -7.403023976e+00 7.14 -7.403023976e+00 7.16 -7.403023976e+00 7.18 -7.403023976e+00 7.20 -7.403023976e+00 7.22 -7.403023976e+00 7.24 -7.403023976e+00 7.26 -7.403023976e+00 7.28 -7.403023976e+00 7.30 -7.403023976e+00 7.32 -7.403023976e+00 7.34 -7.403023976e+00 7.36 -7.403023976e+00 7.38 -7.403023976e+00 7.40 -7.403023976e+00 7.42 -7.403023976e+00 7.44 -7.403023976e+00 7.46 -7.403023976e+00 7.48 -7.403023976e+00 7.50 -7.403023976e+00 7.52 -7.403023976e+00 7.54 -7.403023976e+00 7.56 -7.403023976e+00 7.58 -7.403023976e+00 7.60 -7.403023976e+00 7.62 -7.403023976e+00 7.64 -7.403023976e+00 7.66 -7.403023976e+00 7.68 -7.403023976e+00 7.70 -7.403023976e+00 7.72 -7.403023976e+00 7.74 -7.403023976e+00 7.76 -7.403023976e+00 7.78 -7.403023976e+00 7.80 -7.403023976e+00 7.82 -7.403023976e+00 7.84 -7.403023976e+00 7.86 -7.403023976e+00 7.88 -7.403023976e+00 7.90 -7.403023976e+00 7.92 -7.403023976e+00 7.94 -7.403023976e+00 7.96 -7.403023976e+00 7.98 -7.403023976e+00 8.00 -7.403023976e+00 8.02 -7.403023976e+00 8.04 -7.403023976e+00 8.06 -7.403023976e+00 8.08 -7.403023976e+00 8.10 -7.403023976e+00 8.12 -7.403023976e+00 8.14 -7.403023976e+00 8.16 -7.403023976e+00 8.18 -7.403023976e+00 8.20 -7.403023976e+00 8.22 -7.403023976e+00 8.24 -7.403023976e+00 8.26 -7.403023976e+00 8.28 -7.403023976e+00 8.30 -7.403023976e+00 8.32 -7.403023976e+00 8.34 -7.403023976e+00 8.36 -7.403023976e+00 8.38 -7.403023976e+00 8.40 -7.403023976e+00 8.42 -7.403023976e+00 8.44 -7.403023976e+00 8.46 -7.403023976e+00 8.48 -7.403023976e+00 8.50 -7.403023976e+00 8.52 -7.403023976e+00 8.54 -7.403023976e+00 8.56 -7.403023976e+00 8.58 -7.403023976e+00 8.60 -7.403023976e+00 8.62 -7.403023976e+00 8.64 -7.403023976e+00 8.66 -7.403023976e+00 8.68 -7.403023976e+00 8.70 -7.403023976e+00 8.72 -7.403023976e+00 8.74 -7.403023976e+00 8.76 -7.403023976e+00 8.78 -7.403023976e+00 8.80 -7.403023976e+00 8.82 -7.403023976e+00 8.84 -7.403023976e+00 8.86 -7.403023976e+00 8.88 -7.403023976e+00 8.90 -7.403023976e+00 8.92 -7.403023976e+00 8.94 -7.403023976e+00 8.96 -7.403023976e+00 8.98 -7.403023976e+00 9.00 -7.403023976e+00 9.02 -7.403023976e+00 9.04 -7.403023976e+00 9.06 -7.403023976e+00 9.08 -7.403023976e+00 9.10 -7.403023976e+00 9.12 -7.403023976e+00 9.14 -7.403023976e+00 9.16 -7.403023976e+00 9.18 -7.403023976e+00 9.20 -7.403023976e+00 9.22 -7.403023976e+00 9.24 -7.403023976e+00 9.26 -7.403023976e+00 9.28 -7.403023976e+00 9.30 -7.403023976e+00 9.32 -7.403023976e+00 9.34 -7.403023976e+00 9.36 -7.403023976e+00 9.38 -7.403023976e+00 9.40 -7.403023976e+00 9.42 -7.403023976e+00 9.44 -7.403023976e+00 9.46 -7.403023976e+00 9.48 -7.403023976e+00 9.50 -7.403023976e+00 9.52 -7.403023976e+00 9.54 -7.403023976e+00 9.56 -7.403023976e+00 9.58 -7.403023976e+00 9.60 -7.403023976e+00 9.62 -7.403023976e+00 9.64 -7.403023976e+00 9.66 -7.403023976e+00 9.68 -7.403023976e+00 9.70 -7.403023976e+00 9.72 -7.403023976e+00 9.74 -7.403023976e+00 9.76 -7.403023976e+00 9.78 -7.403023976e+00 9.80 -7.403023976e+00 9.82 -7.403023976e+00 9.84 -7.403023976e+00 9.86 -7.403023976e+00 9.88 -7.403023976e+00 9.90 -7.403023976e+00 9.92 -7.403023976e+00 9.94 -7.403023976e+00 9.96 -7.403023976e+00 9.98 -7.403023976e+00 10.00 -7.403023976e+00